Commit 07fcfc3e authored by Daniel Wortmann's avatar Daniel Wortmann

Changed icorrkeys to m_icorrkeys as gfortran seems to like that more ??

parent 05271642
......@@ -33,7 +33,7 @@ endif ()
#The Fortran compile flags
set(CMAKE_Fortran_FLAGS "${MPI_Fortran_COMPILE_FLAGS} ${HDF5_INCL} -ffree-line-length-none -fdefault-real-8 " )
set(CMAKE_Fortran_FLAGS_RELEASE " -O4 -fopenmp" )
set(CMAKE_Fortran_FLAGS_DEBUG " -CB -O0 -g" )
set(CMAKE_Fortran_FLAGS_DEBUG " -C -O0 -g" )
set(LAPACK_LIBS "-lxml2 -lblas -llapack")
......
......@@ -38,7 +38,7 @@ CONTAINS
USE m_hsefunctional
USE m_hybridmix , ONLY: amix_pbe0,amix_hf
USE m_util
USE icorrkeys
USE m_icorrkeys
USE m_eig66_io, ONLY : open_eig, write_eig, close_eig,read_eig
#ifdef CPP_MPI
USE m_mpimakegroups
......
......@@ -508,7 +508,7 @@ CONTAINS
WRITE(attributes(3),'(f16.10)') vz(1,ivac,jsp)
WRITE(attributes(4),'(f16.10)') vz(vacuum%nmz,ivac,jsp)
WRITE(attributes(5),'(f16.10)') evac(ivac,jsp)
CALL writeXMLElementForm('vacuumEP',(/'vacuum','spin ','vzIR ','vzInf ','value '/),&
CALL writeXMLElementForm('vacuumEP',(/'vacuum','spin ','vzIR ','vzInf ','value '/),&
attributes(1:5),reshape((/6+4,4,4,5,5+30,8,1,16,16,16/),(/5,2/)))
ENDDO
IF (vacuum%nvac.EQ.1) THEN
......
MODULE icorrkeys
INTEGER, PARAMETER :: icorr_exx = -3
INTEGER, PARAMETER :: icorr_hf = -2
INTEGER, PARAMETER :: icorr_pbe0 = 12
c HSE, hybrid exchange functional: J. Chem. Phys. 118, 8207 (2003)
INTEGER, PARAMETER :: icorr_hse = 13
! only local part of HSE
INTEGER, PARAMETER :: icorr_hseloc = 14
! hybrid functional similar to HSE but with variable screening and mixing parameter
INTEGER, PARAMETER :: icorr_vhse = 15
END MODULE icorrkeys
MODULE m_icorrkeys
INTEGER, PARAMETER :: icorr_exx = -3
INTEGER, PARAMETER :: icorr_pbe0 = 12
INTEGER, PARAMETER :: icorr_hf = -2
!HSE, hybrid exchange functional: J. Chem. Phys. 118, 8207 (2003)
INTEGER, PARAMETER :: icorr_hse = 13
! only local part of HSE
INTEGER, PARAMETER :: icorr_hseloc = 14
! hybrid functional similar to HSE but with variable screening and mixing parameter
INTEGER, PARAMETER :: icorr_vhse = 15
END MODULE m_icorrkeys
......@@ -37,7 +37,7 @@
USE m_constants
USE m_types
USE m_inv3
USE icorrkeys
USE m_icorrkeys
USE m_setlomap
IMPLICIT NONE
! ..
......
......@@ -18,7 +18,7 @@ SUBROUTINE r_inpXML(&
USE m_closure, ONLY : check_close
USE m_symproperties
USE m_calculator
USE icorrkeys
USE m_icorrkeys
USE m_constants
USE m_hybridmix, ONLY : aMix_VHSE, omega_VHSE
USE m_julia
......
......@@ -109,7 +109,7 @@
USE m_rhodirgen
USE m_writexcstuff
USE m_vmatgen
USE icorrkeys
USE m_icorrkeys
USE m_eigen
USE m_eigenso
USE m_fermie
......
......@@ -15,7 +15,7 @@
USE m_gen_map
USE m_dwigner
USE m_gen_bz
USE icorrkeys
USE m_icorrkeys
USE m_ylm
USE m_InitParallelProcesses
USE m_xmlOutput
......
......@@ -20,7 +20,7 @@ CONTAINS
USE m_brysh2
USE m_metric
USE m_qfix
USE icorrkeys
USE m_icorrkeys
USE m_types
USE m_xmlOutput
IMPLICIT NONE
......
......@@ -42,7 +42,7 @@ CONTAINS
USE m_force_a3
USE m_forcew
USE m_loddop
USE icorrkeys
USE m_icorrkeys
USE m_types
USE m_xmlOutput
IMPLICIT NONE
......
......@@ -47,7 +47,7 @@ CONTAINS
USE m_potmod
USE m_intgr, ONLY : intgr3
USE m_hybridmix
USE icorrkeys
USE m_icorrkeys
USE m_cfft
USE m_sphpts
USE m_points
......
......@@ -11,7 +11,7 @@ c.....------------------------------------------------------------------
< exc)
USE m_easypbe
USE icorrkeys
USE m_icorrkeys
IMPLICIT NONE
......
......@@ -22,7 +22,7 @@ c----------------------------------------------------------------------
USE m_hybridmix
#endif
USE m_constants, ONLY: pi_const
USE icorrkeys
USE m_icorrkeys
IMPLICIT NONE
......
......@@ -11,7 +11,7 @@ c.....------------------------------------------------------------------
< vx,vxc)
Use m_easypbe
USE icorrkeys
USE m_icorrkeys
IMPLICIT NONE
......
......@@ -42,7 +42,7 @@
USE m_xcbh, ONLY : vxcbh
USE m_xcvwn, ONLY : vxcvwn
USE m_xcpz, ONLY : vxcpz
USE icorrkeys
USE m_icorrkeys
!
! .. Scalar Arguments ..
INTEGER, INTENT (IN) :: iofile ! file number for read and write
......@@ -136,7 +136,7 @@
USE m_xcbh, ONLY : excbh
USE m_xcvwn, ONLY : excvwn
USE m_xcpz, ONLY : excpz
USE icorrkeys
USE m_icorrkeys
!
! .. Scalar Arguments ..
INTEGER, INTENT (IN) :: iofile ! file number for read and write
......
......@@ -56,7 +56,7 @@ c
USE m_vxcwb91
USE m_vxcpw91
USE m_vxcepbe
USE icorrkeys
USE m_icorrkeys
IMPLICIT NONE
c
......@@ -175,7 +175,7 @@ c
USE m_excwb91
USE m_excpw91
USE m_excepbe
USE icorrkeys
USE m_icorrkeys
IMPLICIT NONE
c
......
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